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(E)-1-Phenylsulfonyl-2-benzylidene-3-methylenecyclohexanecarboxylic acid methyl ester
SpectraBase Compound ID DlaAiDtUsEl
InChI InChI=1S/C22H22O4S/c1-17-10-9-15-22(21(23)26-2,20(17)16-18-11-5-3-6-12-18)27(24,25)19-13-7-4-8-14-19/h3-8,11-14,16H,1,9-10,15H2,2H3/b20-16+
InChIKey ZVTQMDUYFUBEIT-CAPFRKAQSA-N
Mol Weight 382.47 g/mol
Molecular Formula C22H22O4S
Exact Mass 382.12388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWrUy0cpHmP
Name (E)-1-Phenylsulfonyl-2-benzylidene-3-methylenecyclohexanecarboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O4S
InChI InChI=1S/C22H22O4S/c1-17-10-9-15-22(21(23)26-2,20(17)16-18-11-5-3-6-12-18)27(24,25)19-13-7-4-8-14-19/h3-8,11-14,16H,1,9-10,15H2,2H3/b20-16+
InChIKey ZVTQMDUYFUBEIT-CAPFRKAQSA-N
Molecular Weight 382.474 g/mol
SMILES C1(\C(C(CCC1)=C)=C\c1ccccc1)(C(=O)OC)S(=O)(=O)c1ccccc1
SPLASH splash10-001l-0950000000-9c56f397d2707c775583
Source of Spectrum C5-2005-325-7
Synonyms Methyl (2E)-2-benzylidene-3-methylene-1-(phenylsulfonyl)cyclohexanecarboxylate
Wiley ID 1617935